Geometry & MOs

Info

ID:	306255
PubChem CID:	125003346
Reduced:	O2N5C19H29 (1)
Stoich.:	A2B5C19D29 (1)
Weight, g/mol:	428.235831
ΔH_f, kcal/mol:	-70.43
Dipole, Da:	4.96
IP(EA), eV:	-8.52(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-methylpyrrolidin-2-yl]-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-propylpyrimidin-2-yl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(=O)NCC1=NC=C(N=C1)CC2CCN(CC2)C(=O)[C@@H]3CCCN3C

DOS

IR

Vibrations